SCHEMBL25373797

SCHEMBL25373797

Cc1ccc2c(Cc3ccc(Cl)cc3)nccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FLT1 P17948 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25375892 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL25376248 0.86 CSNK2A2 (0.40) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL30402574 0.86 CSNK2A2 (0.40) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL25377549 0.85 PDE3B (0.48) ALDH1A1GAAKMT2ALMNANPC1
SCHEMBL30402558 0.84 ALDH1A1 (0.39) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL25373908 0.84 ALDH1A1 (0.39) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL25377855 0.82 S1PR4 (0.38) ALDH1A1TSHRKMT2ALMNARPS6KB1
SCHEMBL25372994 0.81 TSHR (0.42) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL26373121 0.80 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL30162663 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 — — US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 — — US disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 — — EP disclosed
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 — — CN disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM ALDH1A1 262/4885GAA 309/4885TSHR 2621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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